Basic information
- CAS
457-75-0- Standard SMILES
CCC(=O)Oc1ccc(F)cc1- InChIKey
RWEKFYQVRRXQJZ-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- 4-Fluorophenyl propionate
- IUPAC
- (4-fluorophenyl) propanoate
Names & synonyms
Phenol, 4-fluoro-, 1-propanoate457-75-04-fluorophenyl propionate4-fluorophenyl propanoatephenol, 4-fluoro-, propanoateSCHEMBL5642116DTXSID501305004AKOS003055986InChI=1/C9H9FO2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H
Database identifiers
- CAS
457-75-0- PubChem CID
- 643284
- DTXSID
DTXSID501305004- Nikkaji
- J3.563.586F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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